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5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-2-yl perchlorate

5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-2-yl perchlorate

CAS: 38772-18-8

Formula: C7H11ClN2O4

SMILES: CC1=CC(C)=NCC(N1)O[Cl](=O)(=O)=O

IUPAC: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-2-yl perchlorate

InChI: InChI=1/C7H11ClN2O4/c1-5-3-6(2)10-7(4-9-5)14-8(11,12)13/h3,7,10H,4H2,1-2H3

Composition: C (37.77%), H (4.98%), Cl (15.92%), N (12.58%), O (28.75%)

Molar Mass: 222.63

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 222.0407345
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RSPWYJDMZHZHDI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.34
Topological Polar Surface Area 84.83
Polarizability 19.06
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 38772-18-8 $454.54-$636.35$454.54$636.35
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